MolNFT v1 · #40283 · protein
2-hydroxychromene-2-carboxylate isomerase: a kappa class glutathione- S-transferase from pseudomonas putida
2IMF: “2-hydroxychromene-2-carboxylate isomerase: a kappa class glutathione- S-transferase from pseudomonas putida”. X-ray diffraction, 3 ligands (GSH, TOM, PO4), 1 pocket (best druggability 0.68). MolNFT v1 #40283 on GenesisL1: 3D…
- PDB
- 2IMF
- Type
- protein
- Length
- 203 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-hydroxychromene-2-carboxylate isomerase
- EC
- 2.5.1.18
- UniProt
- Q51948
- Ligands
- GSH, TOM, PO4
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-hydroxychromene-2-carboxylate isomerase (EC 2.5.1.18) | protein | 203 | 61% helix, 10% strand | Q51948 |
Ligands and binding sites
- GSH · Glutathione · ligand · chains A
- TOM · 4-(2-methoxyphenyl)-2-oxobut-3-enoic acid · ligand · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains A
- CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 294 | 0.68 | 0.82 | 29 | GSH, TOM |
Compared structures
- 2IMF · 2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q51948 · AlphaFold monomer V2.0 prediction for 2-hydroxychromene-2-carboxylate isomerase (Q51948) · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q51948
- Elsewhere: RCSB PDB 2IMF · PDBe 2IMF · UniProt Q51948
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